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85551-52-6 | Decanoic acid, 9-hydroxy-, methyl ester, (R)-
CAS No: 85551-52-6 Catalog No: AG00526V MDL No:
Product Description
Catalog Number:
AG00526V
Chemical Name:
Decanoic acid, 9-hydroxy-, methyl ester, (R)-
CAS Number:
85551-52-6
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
methyl (9R)-9-hydroxydecanoate
InChI:
InChI=1S/C11H22O3/c1-10(12)8-6-4-3-5-7-9-11(13)14-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1
InChI Key:
RXJKTNNEUMHOQZ-SNVBAGLBSA-N
SMILES:
COC(=O)CCCCCCC[C@H](O)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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